General Information of the Compound
| Compound ID |
CP0561398
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| Compound Name |
US8901315, 381
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| Structure |
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| Formula |
C23H30N6O2S
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| Molecular Weight |
454.6
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| Canonical SMILES |
CN(C)CCNC(=O)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cn1
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| InChI |
InChI=1S/C23H30N6O2S/c1-15-18-13-20(32-23(18)29(27-15)17-7-5-4-6-8-17)22(31)26-16-9-10-19(25-14-16)21(30)24-11-12-28(2)3/h9-10,13-14,17H,4-8,11-12H2,1-3H3,(H,24,30)(H,26,31)
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| InChIKey |
LYEXMIMGSCSUOB-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound